Name: 3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA
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结构编辑

类似物检索

HIT ID:HIT219618851
Cas No:1245946-43-3
常用名:3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA
常用名:3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA
别名:3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-coenzyme A
别名:3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-coenzyme A
IUPAC:3-{2-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-oxoethylidene}-7-methyloct-6-enoic acid
IUPAC:3-{2-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-oxoethylidene}-7-methyloct-6-enoic acid
InChI key:InChIKey=BVEJAKPMABGOEE-GGLMWOCLSA-N

分子式:C32H50N7O19P3S
分子量:961.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)=CCCC(CC(O)=O)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
SMILES:CC(C)=CCCC(CC(O)=O)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA (3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-coenzyme A) 属于 2-烯酰辅酶 A。

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